(3R,8aS)-3-prop-2-enyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione

C10H14N2O2 — CID 11074282

IUPAC(3R,8aS)-3-prop-2-enyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
SMILESC=CC[C@H]1NC(=O)[C@@H]2CCCN2C1=O
InChIInChI=1S/C10H14N2O2/c1-2-4-7-10(14)12-6-3-5-8(12)9(13)11-7/h2,7-8H,1,3-6H2,(H,11,13)/t7-,8+/m1/s1
InChIKeyKRWCOYXZABNETE-SFYZADRCSA-N
MW194.23 g/mol
LogP0.05
Rot. Bonds2

About (3R,8aS)-3-prop-2-enyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione

(3R,8aS)-3-prop-2-enyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione (PubChem CID 11074282) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is (3R,8aS)-3-prop-2-enyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione.

Molecular Properties

Compound Name(3R,8aS)-3-prop-2-enyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
PubChem CID11074282
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name(3R,8aS)-3-prop-2-enyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
SMILESC=CC[C@H]1NC(=O)[C@@H]2CCCN2C1=O
InChIInChI=1S/C10H14N2O2/c1-2-4-7-10(14)12-6-3-5-8(12)9(13)11-7/h2,7-8H,1,3-6H2,(H,11,13)/t7-,8+/m1/s1
InChIKeyKRWCOYXZABNETE-SFYZADRCSA-N
XLogP0.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R,8aS)-3-prop-2-enyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione?
The IUPAC name of (3R,8aS)-3-prop-2-enyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione (CID 11074282) is (3R,8aS)-3-prop-2-enyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione.
What is the SMILES notation for (3R,8aS)-3-prop-2-enyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione?
The canonical SMILES for (3R,8aS)-3-prop-2-enyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione is C=CC[C@H]1NC(=O)[C@@H]2CCCN2C1=O.
What is the InChIKey of (3R,8aS)-3-prop-2-enyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione?
The InChIKey is KRWCOYXZABNETE-SFYZADRCSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-2-4-7-10(14)12-6-3-5-8(12)9(13)11-7/h2,7-8H,1,3-6H2,(H,11,13)/t7-,8+/m1/s1.
What are the key properties of (3R,8aS)-3-prop-2-enyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione?
(3R,8aS)-3-prop-2-enyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione has a molecular weight of 194.23 g/mol, XLogP of 0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,8aS)-3-prop-2-enyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 11074282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).